SCHEMBL6945580

SCHEMBL6945580

CCOC(=O)C(O)c1cccc2nc(CCc3ccccc3)[nH]c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HSD17B10 Q99714 1/20 0.41
MMP2 P08253 1/20 0.40
NTRK1 P04629 2/20 0.40
NTRK2 Q16620 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RNASEH1 O60930 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ELANE P08246 1/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
CACNA1G O43497 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP1 P09874 1/20 0.38
PARP3 Q9Y6F1 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6945281 0.86 MAPT (0.47) MAPTNPC1RAB9AHSD17B10MMP2
SCHEMBL6943106 0.86 RAB9A (0.50) MAPTNPC1RAB9AMMP2NTRK1
SCHEMBL6950396 0.85 MAPT (0.48) MAPTNPC1RAB9AHSD17B10MMP2
Hydrochloric Acid SCHEMBL6953896 0.84 MAPT (0.47) MAPTNPC1RAB9AHSD17B10MMP2
SCHEMBL6945574 0.82 CHEK1 (0.46) MAPTNPC1RAB9AHSD17B10MMP2
SCHEMBL6954321 0.81 MAPT (0.44) MAPTNPC1RAB9AHSD17B10MMP2
SCHEMBL6942891 0.81 MAPT (0.47) MAPTNPC1RAB9AHSD17B10MMP2
SCHEMBL6953839 0.80 POLB (0.42) MAPTNPC1RAB9AHSD17B10MMP2
SCHEMBL7653164 0.80 ALDH1A1 (0.42) MAPTNPC1RAB9AHSD17B10MMP2
SCHEMBL6952293 0.80 MAPT (0.43) MAPTNPC1RAB9AHSD17B10MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0936218-B1 BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6387938-B1 Benzimidazole derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed